2-ethylhexyl 2,3,4,5-tetrabromobenzoate

2-ethylhexyl 2,3,4,5-tetrabromobenzoate

CAS: 183658-27-7

Formula: C15H18Br4O2

SMILES: CCCCC(CC)COC(=O)C1=CC(Br)=C(Br)C(Br)=C1Br

IUPAC: 2-ethylhexyl 2,3,4,5-tetrabromobenzoate

InChI: InChI=1/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3

Composition: C (32.76%), H (3.30%), Br (58.12%), O (5.82%)

Molar Mass: 549.923

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	545.804032
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HVDXCGSGEQKWGB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	100.72
Topological Polar Surface Area	26.3
Polarizability	39.46
Ring Count	1
Rotatable Bond Count	8

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